1-icos-1-en-3-ylpyrrolidin-2-one

C24H45NO — CID 6454556

IUPAC1-icos-1-en-3-ylpyrrolidin-2-one
SMILESC=CC(CCCCCCCCCCCCCCCCC)N1CCCC1=O
InChIInChI=1S/C24H45NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(4-2)25-22-19-21-24(25)26/h4,23H,2-3,5-22H2,1H3
InChIKeyDKRBMPXEKUPGPH-UHFFFAOYSA-N
MW363.63 g/mol
LogP7.42
Rot. Bonds18

About 1-icos-1-en-3-ylpyrrolidin-2-one

1-icos-1-en-3-ylpyrrolidin-2-one (PubChem CID 6454556) has the molecular formula C24H45NO and a molecular weight of 363.63 g/mol. Its IUPAC name is 1-icos-1-en-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-icos-1-en-3-ylpyrrolidin-2-one
PubChem CID6454556
Molecular FormulaC24H45NO
Molecular Weight363.63 g/mol
Exact Mass363.35
IUPAC Name1-icos-1-en-3-ylpyrrolidin-2-one
SMILESC=CC(CCCCCCCCCCCCCCCCC)N1CCCC1=O
InChIInChI=1S/C24H45NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(4-2)25-22-19-21-24(25)26/h4,23H,2-3,5-22H2,1H3
InChIKeyDKRBMPXEKUPGPH-UHFFFAOYSA-N
XLogP7.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-icos-1-en-3-ylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-icos-1-en-3-ylpyrrolidin-2-one?
The IUPAC name of 1-icos-1-en-3-ylpyrrolidin-2-one (CID 6454556) is 1-icos-1-en-3-ylpyrrolidin-2-one.
What is the SMILES notation for 1-icos-1-en-3-ylpyrrolidin-2-one?
The canonical SMILES for 1-icos-1-en-3-ylpyrrolidin-2-one is C=CC(CCCCCCCCCCCCCCCCC)N1CCCC1=O.
What is the InChIKey of 1-icos-1-en-3-ylpyrrolidin-2-one?
The InChIKey is DKRBMPXEKUPGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(4-2)25-22-19-21-24(25)26/h4,23H,2-3,5-22H2,1H3.
What are the key properties of 1-icos-1-en-3-ylpyrrolidin-2-one?
1-icos-1-en-3-ylpyrrolidin-2-one has a molecular weight of 363.63 g/mol, XLogP of 7.42, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-icos-1-en-3-ylpyrrolidin-2-one is sourced from PubChem (CID 6454556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).